[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

C24H24FN7O — CID 150283944

IUPAC[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCCC[C@H]2Cn2ccc(-c3ccc(F)cn3)n2)c1
InChIInChI=1S/C24H24FN7O/c1-17-5-8-23(32-27-10-11-28-32)20(14-17)24(33)31-12-3-2-4-19(31)16-30-13-9-22(29-30)21-7-6-18(25)15-26-21/h5-11,13-15,19H,2-4,12,16H2,1H3/t19-/m0/s1
InChIKeyGGEFNKYUDAADPY-IBGZPJMESA-N
MW445.50 g/mol
LogP3.67
Rot. Bonds5

About [(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 150283944) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is [(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID150283944
Molecular FormulaC24H24FN7O
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC Name[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCCC[C@H]2Cn2ccc(-c3ccc(F)cn3)n2)c1
InChIInChI=1S/C24H24FN7O/c1-17-5-8-23(32-27-10-11-28-32)20(14-17)24(33)31-12-3-2-4-19(31)16-30-13-9-22(29-30)21-7-6-18(25)15-26-21/h5-11,13-15,19H,2-4,12,16H2,1H3/t19-/m0/s1
InChIKeyGGEFNKYUDAADPY-IBGZPJMESA-N
XLogP3.67
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CID 150283944) is [(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CCCC[C@H]2Cn2ccc(-c3ccc(F)cn3)n2)c1.
What is the InChIKey of [(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is GGEFNKYUDAADPY-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24FN7O/c1-17-5-8-23(32-27-10-11-28-32)20(14-17)24(33)31-12-3-2-4-19(31)16-30-13-9-22(29-30)21-7-6-18(25)15-26-21/h5-11,13-15,19H,2-4,12,16H2,1H3/t19-/m0/s1.
What are the key properties of [(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 445.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 150283944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).